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Home Other Building Blocks 4,4'-Dithiobisbenzoic acid

4,4'-Dithiobisbenzoic acid

CAS No.:
1155-51-7
Catalog Number:
AG000G2O
Molecular Formula:
C14H10O4S2
Molecular Weight:
306.3568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$150
- +
5g
95%
In Stock USA
United States
$450
- +
10g
95%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG000G2O
Chemical Name:
4,4'-Dithiobisbenzoic acid
CAS Number:
1155-51-7
Molecular Formula:
C14H10O4S2
Molecular Weight:
306.3568
MDL Number:
MFCD00045857
IUPAC Name:
4-[(4-carboxyphenyl)disulfanyl]benzoic acid
InChI:
InChI=1S/C14H10O4S2/c15-13(16)9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChI Key:
GAMSSMZJKUMFEY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)SSc1ccc(cc1)C(=O)O
NSC Number:
210281
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.002g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
306.35g/mol
Monoisotopic Mass:
306.002g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Three-dimensional networks in bis(imidazolium) 2,2'-dithiodibenzoate and 4-methylimidazolium 2-[(2-carboxyphenyl)disulfanyl]benzoate. Acta crystallographica. Section C, Crystal structure communications 20090901
Molecularly imprinted tunable binding sites based on conjugated prosthetic groups and ion-paired cofactors. Journal of the American Chemical Society 20090701
Evaluation of selected chemotypes in coupled cellular and molecular target-based screens identifies novel HIV-1 zinc finger inhibitors. Journal of medicinal chemistry 19960913
Properties